2-(cyclopropylamino)bicyclo[2.2.2]octane-2-carboxamide

C12H20N2O — CID 130905435

IUPAC2-(cyclopropylamino)bicyclo[2.2.2]octane-2-carboxamide
SMILESNC(=O)C1(NC2CC2)CC2CCC1CC2
InChIInChI=1S/C12H20N2O/c13-11(15)12(14-10-5-6-10)7-8-1-3-9(12)4-2-8/h8-10,14H,1-7H2,(H2,13,15)
InChIKeyBUDKSZCSTPWFSP-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.17
Rot. Bonds3

About 2-(cyclopropylamino)bicyclo[2.2.2]octane-2-carboxamide

2-(cyclopropylamino)bicyclo[2.2.2]octane-2-carboxamide (PubChem CID 130905435) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(cyclopropylamino)bicyclo[2.2.2]octane-2-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylamino)bicyclo[2.2.2]octane-2-carboxamide
PubChem CID130905435
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-(cyclopropylamino)bicyclo[2.2.2]octane-2-carboxamide
SMILESNC(=O)C1(NC2CC2)CC2CCC1CC2
InChIInChI=1S/C12H20N2O/c13-11(15)12(14-10-5-6-10)7-8-1-3-9(12)4-2-8/h8-10,14H,1-7H2,(H2,13,15)
InChIKeyBUDKSZCSTPWFSP-UHFFFAOYSA-N
XLogP1.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(cyclopropylamino)bicyclo[2.2.2]octane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,2,2-Trifluoroethylamino)adamantane-2-carboxamide
CID 62780811
1-(Ethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 60786058
2-(Propan-2-ylamino)adamantane-2-carboxamide
CID 62780654
(1R,2R,5R)-N-tert-butyl-2-ethyl-1-(ethylamino)-5-propylcyclohexane-1-carboxamide
CID 165059161
2-Cyclohexyl-2-cyclohexylamino-propionamide
CID 3616973
N-[1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide
CID 47798207
N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide
CID 52532906
N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-2-carboxamide
CID 52532907
1-(Cyclopropylmethylamino)-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 54891380
5-Methyl-1-(2-methylpropylamino)-2-propan-2-ylcyclohexane-1-carboxamide
CID 54892056
5-Methyl-1-piperazin-1-yl-2-propan-2-ylcyclohexane-1-carboxamide
CID 54892333
1-(Cyclohexylamino)-2-methylcyclohexane-1-carboxamide
CID 54894103

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)bicyclo[2.2.2]octane-2-carboxamide?
The IUPAC name of 2-(cyclopropylamino)bicyclo[2.2.2]octane-2-carboxamide (CID 130905435) is 2-(cyclopropylamino)bicyclo[2.2.2]octane-2-carboxamide.
What is the SMILES notation for 2-(cyclopropylamino)bicyclo[2.2.2]octane-2-carboxamide?
The canonical SMILES for 2-(cyclopropylamino)bicyclo[2.2.2]octane-2-carboxamide is NC(=O)C1(NC2CC2)CC2CCC1CC2.
What is the InChIKey of 2-(cyclopropylamino)bicyclo[2.2.2]octane-2-carboxamide?
The InChIKey is BUDKSZCSTPWFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c13-11(15)12(14-10-5-6-10)7-8-1-3-9(12)4-2-8/h8-10,14H,1-7H2,(H2,13,15).
What are the key properties of 2-(cyclopropylamino)bicyclo[2.2.2]octane-2-carboxamide?
2-(cyclopropylamino)bicyclo[2.2.2]octane-2-carboxamide has a molecular weight of 208.30 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)bicyclo[2.2.2]octane-2-carboxamide is sourced from PubChem (CID 130905435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).